5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole

C102H68Br4FN13O5 — CID 159136835

About 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole

5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole (PubChem CID 159136835) has the molecular formula C102H68Br4FN13O5 and a molecular weight of 1894.37 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole.

Molecular Properties

• Compound Name: 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole
• PubChem CID: 159136835
• Molecular Formula: C102H68Br4FN13O5
• Molecular Weight: 1894.37 g/mol
• Exact Mass: 1889.22
• IUPAC Name: 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole
• SMILES: Brc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Fc1ccc(-c2[nH]c(-c3c(-c4ccccc4)[nH]c4ccccc34)nc2-c2ccccc2)cc1.O=C(O)CCC(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.Oc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)cc1O
• InChI: InChI=1S/C29H20FN3.C27H19BrN4O3.C23H13Br2N3.C23H16BrN3O2/c30-22-17-15-21(16-18-22)28-27(20-11-5-2-6-12-20)32-29(33-28)25-23-13-7-8-14-24(23)31-26(25)19-9-3-1-4-10-19;28-14-5-8-22-19(11-14)21(13-29-22)27-31-25-18-4-2-1-3-16(18)17-7-6-15(12-20(17)26(25)32-27)30-23(33)9-10-24(34)35;24-12-5-7-15-14-3-1-2-4-16(14)21-22(18(15)10-12)28-23(27-21)19-11-26-20-8-6-13(25)9-17(19)20;24-15-7-8-18-16(11-15)17(12-25-18)23-26-21(13-4-2-1-3-5-13)22(27-23)14-6-9-19(28)20(29)10-14/h1-18,31H,(H,32,33);1-8,11-13,29H,9-10H2,(H,30,33)(H,31,32)(H,34,35);1-11,26H,(H,27,28);1-12,25,28-29H,(H,26,27)
• InChIKey: KHPFMAGHRODCTF-UHFFFAOYSA-N
• XLogP: 27.89
• TPSA: 284.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.37
LogP ≤ 5	27.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole?

The IUPAC name of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole (CID 159136835) is 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole.

What is the SMILES notation for 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole?

The canonical SMILES for 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole is Brc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Fc1ccc(-c2[nH]c(-c3c(-c4ccccc4)[nH]c4ccccc34)nc2-c2ccccc2)cc1.O=C(O)CCC(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.Oc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)cc1O.

What is the InChIKey of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole?

The InChIKey is KHPFMAGHRODCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN3.C27H19BrN4O3.C23H13Br2N3.C23H16BrN3O2/c30-22-17-15-21(16-18-22)28-27(20-11-5-2-6-12-20)32-29(33-28)25-23-13-7-8-14-24(23)31-26(25)19-9-3-1-4-10-19;28-14-5-8-22-19(11-14)21(13-29-22)27-31-25-18-4-2-1-3-16(18)17-7-6-15(12-20(17)26(25)32-27)30-23(33)9-10-24(34)35;24-12-5-7-15-14-3-1-2-4-16(14)21-22(18(15)10-12)28-23(27-21)19-11-26-20-8-6-13(25)9-17(19)20;24-15-7-8-18-16(11-15)17(12-25-18)23-26-21(13-4-2-1-3-5-13)22(27-23)14-6-9-19(28)20(29)10-14/h1-18,31H,(H,32,33);1-8,11-13,29H,9-10H2,(H,30,33)(H,31,32)(H,34,35);1-11,26H,(H,27,28);1-12,25,28-29H,(H,26,27).

What are the key properties of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole?

5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole has a molecular weight of 1894.37 g/mol, XLogP of 27.89, 13 rotatable bonds, 12 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole is sourced from PubChem (CID 159136835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).